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Home Other Building Blocks 1262417-51-5
1262417-51-5,MFCD30533610
Catalog No.:AA009GSS

1262417-51-5 | NMS-P118

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
≥98%
in stock  
$53.00   $37.00
- +
5mg
≥98%
in stock  
$230.00   $161.00
- +
10mg
≥98%
in stock  
$405.00   $283.00
- +
25mg
≥98%
in stock  
$883.00   $618.00
- +
100mg
97%
in stock  
$3,132.00   $2,193.00
- +
250mg
97%
in stock  
$6,977.00   $4,884.00
- +
  • Technical Information
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  • Technical Information
  • Properties
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Technical Information
Catalog Number:
AA009GSS
Chemical Name:
NMS-P118
CAS Number:
1262417-51-5
Molecular Formula:
C20H24F3N3O2
Molecular Weight:
395.4187
MDL Number:
MFCD30533610
SMILES:
Fc1cc2CN(C(=O)c2c(c1)C(=O)N)C1CCN(CC1)C1CCC(CC1)(F)F
Properties
Computed Properties
 
Complexity:
614  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
3  
XLogP3:
2.5  

Literature

Title: Discovery of 2-[1-(4,4-Difluorocyclohexyl)piperidin-4-yl]-6-fluoro-3-oxo-2,3-dihydro-1H-isoindole-4-carboxamide (NMS-P118): A Potent, Orally Available, and Highly Selective PARP-1 Inhibitor for Cancer Therapy.

Journal: Journal of medicinal chemistry 20150910

Title: Papeo G, et al. Discovery of 2--(4,4-Difluorocyclohexyl)piperidin-4-yl-6-fluoro-3-oxo-2,3-dihydro-1H-isoindole-4-carboxamide (NMS-P118): A Potent, Orally Available, and Highly Selective PARP-1 Inhibitor for Cancer Therapy. J Med Chem. 2015 Sep 10;58(17):6875-98.

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Tags:1262417-51-5 Molecular Formula|1262417-51-5 MDL|1262417-51-5 SMILES|1262417-51-5 NMS-P118